Exploration of liquid chromatographic-diode array data for Argentinean wines by extended multivariate curve resolution

Second-order data were measured using high-performance liquid-chromatography with diode array detection (HPLC-DAD) for a number of wine samples, which were directly injected in the HPLC-DAD system without sample pre-treatment. The data were arranged in data matrices whose modes were elution time and...

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Detalles Bibliográficos
Autores principales: Pisano, Pablo Luis, Silva, María Fernanda, Olivieri, Alejandro César
Lenguaje:Inglés
Publicado: Elsevier 2018
Materias:
Liquid Chromatography
Multivariate Curve Resolution
Principal Component Analysis
Direct Injection
Wine Data Exploration
Acceso en línea:http://hdl.handle.net/2133/10496
http://hdl.handle.net/2133/10496
Aporte de:
Repositorio Hipermedial de la Universidad Nacional de Rosario (UNR) de Universidad Nacional de Rosario
id I15-R121-2133-10496
record_format dspace
institution Universidad Nacional de Rosario
institution_str I-15
repository_str R-121
collection Repositorio Hipermedial de la Universidad Nacional de Rosario (UNR)
language Inglés
orig_language_str_mv eng
topic Liquid Chromatography
Multivariate Curve Resolution
Principal Component Analysis
Direct Injection
Wine Data Exploration
spellingShingle Liquid Chromatography
Multivariate Curve Resolution
Principal Component Analysis
Direct Injection
Wine Data Exploration
Pisano, Pablo Luis
Silva, María Fernanda
Olivieri, Alejandro César
Exploration of liquid chromatographic-diode array data for Argentinean wines by extended multivariate curve resolution
topic_facet Liquid Chromatography
Multivariate Curve Resolution
Principal Component Analysis
Direct Injection
Wine Data Exploration
description Second-order data were measured using high-performance liquid-chromatography with diode array detection (HPLC-DAD) for a number of wine samples, which were directly injected in the HPLC-DAD system without sample pre-treatment. The data were arranged in data matrices whose modes were elution time and UV?visible absorption wavelength, and processed by extended multivariate curve resolution coupled to alternating least squares(MCR?ALS). The individual data matrices were organized in a row-wise augmented data matrix sharing the time subspace, due to the high spectral similarity among several sample components. This required previous time alignment of the chromatograms using a suitable synchronization algorithm, in order to produce a bilinear augmented datamatrix to be processed by MCR?ALS. The latter algorithm led to resolved component chromatogramsand spectra, from which component scores could be estimated, which are proportional to the relative component concentrations in each studied sample. The matrix of sample scoreswas then submitted to principal component analysis, which was applied for data exploration according to grape varietal and geographical origin. The results showed that the present data generation and analysis are useful for the discrimination of all samples of the Malbec varietal from the remaining ones, but achieved partial success regarding geographical origin.
author Pisano, Pablo Luis
Silva, María Fernanda
Olivieri, Alejandro César
author_facet Pisano, Pablo Luis
Silva, María Fernanda
Olivieri, Alejandro César
author_sort Pisano, Pablo Luis
title Exploration of liquid chromatographic-diode array data for Argentinean wines by extended multivariate curve resolution
title_short Exploration of liquid chromatographic-diode array data for Argentinean wines by extended multivariate curve resolution
title_full Exploration of liquid chromatographic-diode array data for Argentinean wines by extended multivariate curve resolution
title_fullStr Exploration of liquid chromatographic-diode array data for Argentinean wines by extended multivariate curve resolution
title_full_unstemmed Exploration of liquid chromatographic-diode array data for Argentinean wines by extended multivariate curve resolution
title_sort exploration of liquid chromatographic-diode array data for argentinean wines by extended multivariate curve resolution
publisher Elsevier
publishDate 2018
url http://hdl.handle.net/2133/10496
http://hdl.handle.net/2133/10496
work_keys_str_mv AT pisanopabloluis explorationofliquidchromatographicdiodearraydataforargentineanwinesbyextendedmultivariatecurveresolution
AT silvamariafernanda explorationofliquidchromatographicdiodearraydataforargentineanwinesbyextendedmultivariatecurveresolution
AT olivierialejandrocesar explorationofliquidchromatographicdiodearraydataforargentineanwinesbyextendedmultivariatecurveresolution
bdutipo_str Repositorios
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